General Information of the Compound
| Compound ID |
CP0710272
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| Compound Name |
3-{[4-(2-Methoxyphenyl)piperazinyl]methyl}-1-(naphth-1-yl)-1H-indole fumarate
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| Structure |
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| Formula |
C34H33N3O5
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| Molecular Weight |
563.654
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(-c3cccc4ccccc34)c3ccccc23)CC1.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C30H29N3O.C4H4O4/c1-34-30-16-7-6-14-29(30)32-19-17-31(18-20-32)21-24-22-33(27-13-5-4-12-26(24)27)28-15-8-10-23-9-2-3-11-25(23)28;5-3(6)1-2-4(7)8/h2-16,22H,17-21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
QEEWCWHXNMMVPC-WLHGVMLRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound